1-butyl-5-phenylimidazol-2-amine

C13H17N3 — CID 53318075

IUPAC1-butyl-5-phenylimidazol-2-amine
SMILESCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C13H17N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,14,15)
InChIKeyNGUMRPZKWUKGTI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.93
Rot. Bonds4

About 1-butyl-5-phenylimidazol-2-amine

1-butyl-5-phenylimidazol-2-amine (PubChem CID 53318075) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-butyl-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-5-phenylimidazol-2-amine
PubChem CID53318075
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-butyl-5-phenylimidazol-2-amine
SMILESCCCCn1c(-c2ccccc2)cnc1N
InChIInChI=1S/C13H17N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,14,15)
InChIKeyNGUMRPZKWUKGTI-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-phenylimidazol-2-amine?
The IUPAC name of 1-butyl-5-phenylimidazol-2-amine (CID 53318075) is 1-butyl-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-butyl-5-phenylimidazol-2-amine?
The canonical SMILES for 1-butyl-5-phenylimidazol-2-amine is CCCCn1c(-c2ccccc2)cnc1N.
What is the InChIKey of 1-butyl-5-phenylimidazol-2-amine?
The InChIKey is NGUMRPZKWUKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-3-9-16-12(10-15-13(16)14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,14,15).
What are the key properties of 1-butyl-5-phenylimidazol-2-amine?
1-butyl-5-phenylimidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-phenylimidazol-2-amine is sourced from PubChem (CID 53318075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).